Chemical Properties of 2-Isopropyl-4,6-dinitro-5-methyl phenol (CAS 303-21-9)

InChI

InChI=1S/C10H12N2O5/c1-5(2)7-4-8(11(14)15)6(3)9(10(7)13)12(16)17/h4-5,13H,1-3H3

InChI Key

XBCVBHKJVWVNID-UHFFFAOYSA-N

Formula

C10H12N2O5

SMILES

Cc1c([N+](=O)[O-])cc(C(C)C)c(O)c1[N+](=O)[O-]

Molecular Weight¹

240.21

CAS

303-21-9

Other Names

• 2,6-dinitrothymol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[489.27; 547.98]	J/mol×K	[853.68; 1119.35]
Cp,gas	489.27	J/mol×K	853.68	Joback Calculated Property
Cp,gas	500.07	J/mol×K	897.96	Joback Calculated Property
Cp,gas	510.31	J/mol×K	942.24	Joback Calculated Property
Cp,gas	520.10	J/mol×K	986.51	Joback Calculated Property
Cp,gas	529.56	J/mol×K	1030.79	Joback Calculated Property
Cp,gas	538.81	J/mol×K	1075.07	Joback Calculated Property
Cp,gas	547.98	J/mol×K	1119.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopropyl-4,6-dinitro-5-methyl phenol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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